1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine

C13H24N4O — CID 114107267

IUPAC1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC1CC(Nc2c(N)c(C(C)C)nn2C)CCO1
InChIInChI=1S/C13H24N4O/c1-8(2)12-11(14)13(17(4)16-12)15-10-5-6-18-9(3)7-10/h8-10,15H,5-7,14H2,1-4H3
InChIKeyYMMBMMCIGAJVGP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.11
Rot. Bonds3

About 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine

1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 114107267) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID114107267
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC1CC(Nc2c(N)c(C(C)C)nn2C)CCO1
InChIInChI=1S/C13H24N4O/c1-8(2)12-11(14)13(17(4)16-12)15-10-5-6-18-9(3)7-10/h8-10,15H,5-7,14H2,1-4H3
InChIKeyYMMBMMCIGAJVGP-UHFFFAOYSA-N
XLogP2.11
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66011954
5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66012146
5-N-(1,1-dioxothian-4-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018202
5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018561
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
1-methyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 80714459
5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017249
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol
CID 66017455
5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66012536
3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 66011176
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine (CID 114107267) is 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine is CC1CC(Nc2c(N)c(C(C)C)nn2C)CCO1.
What is the InChIKey of 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is YMMBMMCIGAJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)12-11(14)13(17(4)16-12)15-10-5-6-18-9(3)7-10/h8-10,15H,5-7,14H2,1-4H3.
What are the key properties of 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine?
1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 114107267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).